[Wien] interface energy

yu li lywust at yahoo.com.cn
Mon Dec 24 15:11:30 CET 2012











Hello everyone,
     I want to calculate the interface energy of a supercell which has about 30 atoms using wien2k, but I found it spent too much time for computer to calculate it. I am comfused about it. Is the amount of computation too much due to the full-potential? Maybe the parameters I specified is not appropriate? 
     I want to ask for some references about the interface energy. I would appreciate it if you sent me some paper with detailed calculational method.  
 
Thank you very much!
LiYu
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